Structure of PDB 2kot Chain A Binding Site BS01

Receptor Information
>2kot Chain A (length=98) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAAEPLTELEESIETVVTTFFTFARQEGRKDSLSVNEFKELVTQQLPHLL
KDVGSLDEKMKSLDVNQDSELKFNEYWRLIGELAKEIRKKKDLKIRKK
Ligand information
Ligand IDANW
InChIInChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
InChIKeySGRYPYWGNKJSDL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O
CACTVS 3.352CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O)=O
ACDLabs 11.02O=C(O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C
FormulaC16 H14 N2 O4
Name2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
ChEMBLCHEMBL1096
DrugBankDB01025
ZINCZINC000000000928
PDB chain2kot Chain A Residue 99 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2kot Molecular level interactions of S100A13 with amlexanox: inhibitor for the formation of multi-protein complex in non-classical pathway of the acidic fibroblast growth factor
ResolutionN/A
Binding residue
(original residue number in PDB)		M1 F21 R25
Binding residue
(residue number reindexed from 1)		M1 F21 R25
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0008289 lipid binding
GO:0017134 fibroblast growth factor binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0048306 calcium-dependent protein binding
GO:0050786 RAGE receptor binding
Biological Process
GO:0001819 positive regulation of cytokine production
GO:0008284 positive regulation of cell population proliferation
GO:0015031 protein transport
GO:0032730 positive regulation of interleukin-1 alpha production
GO:0043123 positive regulation of canonical NF-kappaB signal transduction
GO:0043303 mast cell degranulation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0048471 perinuclear region of cytoplasm

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2kot, PDBe:2kot, PDBj:2kot
PDBsum2kot
PubMed20178375
UniProtQ99584|S10AD_HUMAN Protein S100-A13 (Gene Name=S100A13)

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